N-[4-cyano-2-(4-methylquinolin-2-yl)pyrazol-3-yl]-4-morpholin-4-yl-3-nitro-benzamide

Systemtic Name: N-[4-cyano-2-(4-methylquinolin-2-yl)pyrazol-3-yl]-4-morpholin-4-yl-3-nitro-benzamide Openeye Name: N-[4-cyano-2-(4-methyl-2-quinolyl)pyrazol-3-yl]-4-morpholino-3-nitro-benzamide CAS Name: N-[4-cyano-2-(4-methyl-2-quinolinyl)-3-pyrazolyl]-4-(4-morpholinyl)-3-nitrobenzamide IUPAC Name: N-[4-cyano-2-(4-methylquinolin-2-yl)pyrazol-3-yl]-4-morpholin-4-yl-3-nitrobenzamide Traditional Name: N-[4-cyano-2-(4-methyl-2-quinolyl)pyrazol-3-yl]-4-morpholino-3-nitro-benzamide Formula: C25H21N7O4 MolecularWeight: 483.47874

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC2=CC=CC=C12)N3C(=C(C=N3)C#N)NC(=O)C4=CC(=C(C=C4)N5CCOCC5)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=NC2=CC=CC=C12)N3C(=C(C=N3)C#N)NC(=O)C4=CC(=C(C=C4)N5CCOCC5)[N+](=O)[O-]

InChI

InChI=1S/C25H21N7O4/c1-16-12-23(28-20-5-3-2-4-19(16)20)31-24(18(14-26)15-27-31)29-25(33)17-6-7-21(22(13-17)32(34)35)30-8-10-36-11-9-30/h2-7,12-13,15H,8-11H2,1H3,(H,29,33)